4-N-(3,3-dimethylcyclohexyl)benzene-1,2,4-triamine

C14H23N3 — CID 106751041

IUPAC4-N-(3,3-dimethylcyclohexyl)benzene-1,2,4-triamine
SMILESCC1(C)CCCC(Nc2ccc(N)c(N)c2)C1
InChIInChI=1S/C14H23N3/c1-14(2)7-3-4-11(9-14)17-10-5-6-12(15)13(16)8-10/h5-6,8,11,17H,3-4,7,9,15-16H2,1-2H3
InChIKeyIMHSXXFEOMXEIF-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.23
Rot. Bonds2

About 4-N-(3,3-dimethylcyclohexyl)benzene-1,2,4-triamine

4-N-(3,3-dimethylcyclohexyl)benzene-1,2,4-triamine (PubChem CID 106751041) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 4-N-(3,3-dimethylcyclohexyl)benzene-1,2,4-triamine.

Molecular Properties

Compound Name4-N-(3,3-dimethylcyclohexyl)benzene-1,2,4-triamine
PubChem CID106751041
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name4-N-(3,3-dimethylcyclohexyl)benzene-1,2,4-triamine
SMILESCC1(C)CCCC(Nc2ccc(N)c(N)c2)C1
InChIInChI=1S/C14H23N3/c1-14(2)7-3-4-11(9-14)17-10-5-6-12(15)13(16)8-10/h5-6,8,11,17H,3-4,7,9,15-16H2,1-2H3
InChIKeyIMHSXXFEOMXEIF-UHFFFAOYSA-N
XLogP3.23
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-methylcyclohexyl)aniline
CID 4711890
N1-(1-phenylethyl)benzene-1,2-diamine
CID 23651231
N-methyl-N'-benzyl-o-phenylenediamine
CID 3760667
m-Benzylaminoaniline
CID 11217846
1-N-(1-phenylethyl)benzene-1,4-diamine
CID 43115340
4-(4-Aminophenylamino)-2,2,6,6-tetramethylpiperidine
CID 15322896
(N,N'-bis(2,4-diaminophenyl)ethylenediamine)
CID 19357428
N4,N4-diethylbenzene-1,2,4-triamine
CID 23331908
2,4-diamino-N-ethyl aniline
CID 54794983
N-[(1-methylcyclohexyl)methyl]aniline
CID 102084023
1-(4-amino-3-(4,4-dimethylpiperidin-1-yl)phenyl)-N,N-dimethylpiperidin-4-amine
CID 176063402
4-(4-Fluorobenzylamino)-1,2-phenylenediamine
CID 11241726

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,3-dimethylcyclohexyl)benzene-1,2,4-triamine?
The IUPAC name of 4-N-(3,3-dimethylcyclohexyl)benzene-1,2,4-triamine (CID 106751041) is 4-N-(3,3-dimethylcyclohexyl)benzene-1,2,4-triamine.
What is the SMILES notation for 4-N-(3,3-dimethylcyclohexyl)benzene-1,2,4-triamine?
The canonical SMILES for 4-N-(3,3-dimethylcyclohexyl)benzene-1,2,4-triamine is CC1(C)CCCC(Nc2ccc(N)c(N)c2)C1.
What is the InChIKey of 4-N-(3,3-dimethylcyclohexyl)benzene-1,2,4-triamine?
The InChIKey is IMHSXXFEOMXEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-14(2)7-3-4-11(9-14)17-10-5-6-12(15)13(16)8-10/h5-6,8,11,17H,3-4,7,9,15-16H2,1-2H3.
What are the key properties of 4-N-(3,3-dimethylcyclohexyl)benzene-1,2,4-triamine?
4-N-(3,3-dimethylcyclohexyl)benzene-1,2,4-triamine has a molecular weight of 233.36 g/mol, XLogP of 3.23, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,3-dimethylcyclohexyl)benzene-1,2,4-triamine is sourced from PubChem (CID 106751041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).